Dataset

Oleanolic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81847 contains the MS mass spectrum of Oleanolic acid with the InChIkey MIJYXULNPSFWEK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)
SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
InChI Key MIJYXULNPSFWEK-UHFFFAOYSA-N
Molecular Formula C30H48O3
Exact Mass 456.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81847
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:15.112211
MetadataModified 2024-01-11T22:28:15.320681
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
619166 PubChem
MCULE-3143886740 Mcule
6857215 eMolecules
SCHEMBL13395360 SureChEMBL
508-02-1 ACToR
PD027196 ProbesDrugs
60021663 NMRShiftDB
The data in this table is sourced from UniChem at EBI.